(2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide

C18H19FN2O5 — CID 8537713

IUPAC(2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide
SMILESCOc1ccc(O[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19FN2O5/c1-12(18(22)20(2)11-13-5-4-6-14(19)9-13)26-17-8-7-15(25-3)10-16(17)21(23)24/h4-10,12H,11H2,1-3H3/t12-/m1/s1
InChIKeyOWWBWFVUODOWET-GFCCVEGCSA-N
MW362.36 g/mol
LogP3.17
Rot. Bonds7

About (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide

(2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide (PubChem CID 8537713) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide
PubChem CID8537713
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name(2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide
SMILESCOc1ccc(O[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19FN2O5/c1-12(18(22)20(2)11-13-5-4-6-14(19)9-13)26-17-8-7-15(25-3)10-16(17)21(23)24/h4-10,12H,11H2,1-3H3/t12-/m1/s1
InChIKeyOWWBWFVUODOWET-GFCCVEGCSA-N
XLogP3.17
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide
CID 7695065
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide
CID 8609346
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate
CID 8535836
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 8873483
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4-methylsulfonyl-3-nitrobenzoate
CID 55373626
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55373631
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide
CID 7473394
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide?
The IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide (CID 8537713) is (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide?
The canonical SMILES for (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide is COc1ccc(O[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide?
The InChIKey is OWWBWFVUODOWET-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN2O5/c1-12(18(22)20(2)11-13-5-4-6-14(19)9-13)26-17-8-7-15(25-3)10-16(17)21(23)24/h4-10,12H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide?
(2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide has a molecular weight of 362.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide is sourced from PubChem (CID 8537713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).